(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol

C18H28O — CID 100938852

IUPAC(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
SMILESCCCCC[C@@H](O)C(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H28O/c1-3-4-5-10-18(19)14(2)16-12-11-15-8-6-7-9-17(15)13-16/h11-14,18-19H,3-10H2,1-2H3/t14?,18-/m1/s1
InChIKeyLLAJWJZMSKUXOY-XPKAQORNSA-N
MW260.42 g/mol
LogP4.61
Rot. Bonds6

About (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol

(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol (PubChem CID 100938852) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol.

Molecular Properties

Compound Name(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
PubChem CID100938852
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
SMILESCCCCC[C@@H](O)C(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H28O/c1-3-4-5-10-18(19)14(2)16-12-11-15-8-6-7-9-17(15)13-16/h11-14,18-19H,3-10H2,1-2H3/t14?,18-/m1/s1
InChIKeyLLAJWJZMSKUXOY-XPKAQORNSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3-(1-cyclohexylhexyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58389477
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
CID 83931757
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
(2R)-2-phenylheptan-3-ol
CID 91322845
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol?
The IUPAC name of (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol (CID 100938852) is (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol.
What is the SMILES notation for (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol?
The canonical SMILES for (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol is CCCCC[C@@H](O)C(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol?
The InChIKey is LLAJWJZMSKUXOY-XPKAQORNSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-5-10-18(19)14(2)16-12-11-15-8-6-7-9-17(15)13-16/h11-14,18-19H,3-10H2,1-2H3/t14?,18-/m1/s1.
What are the key properties of (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol?
(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol has a molecular weight of 260.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol is sourced from PubChem (CID 100938852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).